Methyl 2-{[(4-hydroxyphenyl)(methoxycarbonyl)methyl]aminocarbonyl}ethanoate hemihydrate

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 64; no. 4; pp. o663 - o664
• Main Authors: Mohammat, M. Fazli, Shaameri, Zurina, Hamzah, A. Sazali, Kamarulzaman, N., Fun, Hoong-Kun, Chantrapromma, Suchada
• Format: Journal Article
• Language: English
• Published: International Union of Crystallography 01-04-2008
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536808005552

In the structure of the title compound, C13H15NO6·0.5H2O, the water O atom lies on a twofold rotation axis. The methoxycarbonylmethyl and amino groups are essentially coplanar and the methoxycarbonylmethyl group makes a dihedral angle of 79.73 (10)° with the mean plane of the hydroxyphenyl ring. The amino and methoxycarbonylmethyl groups are involved in an intramolecular N-H...O hydrogen bond which generates an S(5) ring motif. In the crystal structure, molecules are linked via N-H...O and O-H...O hydrogen bonds and weak C-H...O interactions into a two-dimensional network parallel to the (overline{2}01) plane. The crystal structure is further stabilized by C-H...π interactions.